[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol

C24H31ClN6O — CID 145424590

IUPAC[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n23)CC1
InChIInChI=1S/C24H31ClN6O/c1-28-12-14-30(15-13-28)22-10-4-9-21-27-24(20(16-32)31(21)22)19-8-3-7-18(29(19)2)23-17(25)6-5-11-26-23/h4-6,9-11,18-19,32H,3,7-8,12-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyJBZXMGNDKQLRLD-RBUKOAKNSA-N
MW455.01 g/mol
LogP3.52
Rot. Bonds4

About [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol

[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 145424590) has the molecular formula C24H31ClN6O and a molecular weight of 455.01 g/mol. Its IUPAC name is [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID145424590
Molecular FormulaC24H31ClN6O
Molecular Weight455.01 g/mol
Exact Mass454.22
IUPAC Name[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n23)CC1
InChIInChI=1S/C24H31ClN6O/c1-28-12-14-30(15-13-28)22-10-4-9-21-27-24(20(16-32)31(21)22)19-8-3-7-18(29(19)2)23-17(25)6-5-11-26-23/h4-6,9-11,18-19,32H,3,7-8,12-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyJBZXMGNDKQLRLD-RBUKOAKNSA-N
XLogP3.52
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.01
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 145424590) is [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is CN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n23)CC1.
What is the InChIKey of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is JBZXMGNDKQLRLD-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H31ClN6O/c1-28-12-14-30(15-13-28)22-10-4-9-21-27-24(20(16-32)31(21)22)19-8-3-7-18(29(19)2)23-17(25)6-5-11-26-23/h4-6,9-11,18-19,32H,3,7-8,12-16H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 455.01 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 145424590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).